1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide

C40H78N4O4 — CID 88545293

IUPAC1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide
SMILESCCC(C)CC(C)CNC(=O)CC(C(=O)NCC(C)CC(C)CC)C(CC(=O)NCC(C)CC(C)CC)C(=O)NCC(C)CC(C)CC
InChIInChI=1S/C40H78N4O4/c1-13-27(5)17-31(9)23-41-37(45)21-35(39(47)43-25-33(11)19-29(7)15-3)36(40(48)44-26-34(12)20-30(8)16-4)22-38(46)42-24-32(10)18-28(6)14-2/h27-36H,13-26H2,1-12H3,(H,41,45)(H,42,46)(H,43,47)(H,44,48)
InChIKeyQNWNKIOXWOVTAR-UHFFFAOYSA-N
MW679.09 g/mol
LogP7.75
Rot. Bonds27

About 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide

1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide (PubChem CID 88545293) has the molecular formula C40H78N4O4 and a molecular weight of 679.09 g/mol. Its IUPAC name is 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide
PubChem CID88545293
Molecular FormulaC40H78N4O4
Molecular Weight679.09 g/mol
Exact Mass678.60
IUPAC Name1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide
SMILESCCC(C)CC(C)CNC(=O)CC(C(=O)NCC(C)CC(C)CC)C(CC(=O)NCC(C)CC(C)CC)C(=O)NCC(C)CC(C)CC
InChIInChI=1S/C40H78N4O4/c1-13-27(5)17-31(9)23-41-37(45)21-35(39(47)43-25-33(11)19-29(7)15-3)36(40(48)44-26-34(12)20-30(8)16-4)22-38(46)42-24-32(10)18-28(6)14-2/h27-36H,13-26H2,1-12H3,(H,41,45)(H,42,46)(H,43,47)(H,44,48)
InChIKeyQNWNKIOXWOVTAR-UHFFFAOYSA-N
XLogP7.75
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.09
LogP ≤ 57.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide with MolForge

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Related Compounds

1-N,2-N,3-N-tris(4-ethyl-2-methylheptyl)propane-1,2,3-tricarboxamide
CID 88545273
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
ethane;N-(2-methylbutyl)propanamide
CID 177054062
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
N-(2-amino-3-hydroxybutyl)-3-methylpentanamide
CID 114875635
4-hydroxy-N-(2-methylbutyl)pentanamide
CID 79193367
3-methyl-4-(2-methylbutanoylamino)butanoic acid
CID 81064601

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide?
The IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide (CID 88545293) is 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide.
What is the SMILES notation for 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide?
The canonical SMILES for 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide is CCC(C)CC(C)CNC(=O)CC(C(=O)NCC(C)CC(C)CC)C(CC(=O)NCC(C)CC(C)CC)C(=O)NCC(C)CC(C)CC.
What is the InChIKey of 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide?
The InChIKey is QNWNKIOXWOVTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H78N4O4/c1-13-27(5)17-31(9)23-41-37(45)21-35(39(47)43-25-33(11)19-29(7)15-3)36(40(48)44-26-34(12)20-30(8)16-4)22-38(46)42-24-32(10)18-28(6)14-2/h27-36H,13-26H2,1-12H3,(H,41,45)(H,42,46)(H,43,47)(H,44,48).
What are the key properties of 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide?
1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide has a molecular weight of 679.09 g/mol, XLogP of 7.75, 27 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N,4-N-tetrakis(2,4-dimethylhexyl)butane-1,2,3,4-tetracarboxamide is sourced from PubChem (CID 88545293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).